SEQ2FUN

BioLiP

PDB CCD ID: DJ3
Number of entries in BioLiP: 5
Chemical formula: C20 H30 O3
InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
InChIKey: UFPQIRYSPUYQHK-WAQVJNLQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCC=CCC=CC=CC=C[CH]1O[CH]1CCCC(O)=O
CACTVS 3.385CCCCC/C=C\C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O
OpenEye OEToolkits 2.0.6CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O
OpenEye OEToolkits 2.0.6CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)O
Name:5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid
ChEMBL: CHEMBL69439
ZINC: ZINC000004095494
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).